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Crystal structure

Decoding molecular recognition of inhibitors targeting HDAC2 via molecular dynamics simulations and configurational entropy estimation

Suriya Tateing, Nuttee Suree

Validation of the solution structure of dimerization domain of PRC1

Fei Tan, Jin Xu

Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa

Michał Zieliński, Jonathan Blanchet, Sophia Hailemariam, Albert M. Berghuis

Photonic passbands induced by optical fractal effect in Cantor dielectric multilayers

Jianxia Liu, Jing Shen, Dong Zhao, Pu Zhang

Structural and biophysical properties of FopA, a major outer membrane protein of Francisella tularensis

Nirupa Nagaratnam, Jose M. Martin-Garcia, [ ... ], Petra Fromme

Redefining the architecture of ferlin proteins: Insights into multi-domain protein structure and function

Matthew J. Dominguez, Jon J. McCord, R. Bryan Sutton

‘Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study

Ayushman Gadnayak, Budheswar Dehury, [ ... ], Sanghamitra Nayak

AlphaFold2 and RoseTTAFold predict posttranslational modifications. Chromophore formation in GFP-like proteins

Sophia M. Hartley, Kelly A. Tiernan, [ ... ], Marc Zimmer

Simultaneous prediction of antibody backbone and side-chain conformations with deep learning

Deniz Akpinaroglu, Jeffrey A. Ruffolo, Sai Pooja Mahajan, Jeffrey J. Gray

High-affinity anti-Arc nanobodies provide tools for structural and functional studies

Sigurbjörn Markússon, Erik I. Hallin, [ ... ], Petri Kursula

Structural and biophysical characterization of the multidomain xylanase Xyl

Valentine Anye, Robert F. Kruger, Wolf-Dieter Schubert

Complex protein interactions mediate Drosophila Lar function in muscle tissue

Jessica Kawakami, David Brooks, [ ... ], Erika R. Geisbrecht

Antioxidant properties of bee propolis and an important component, galangin, described by X-ray crystal structure, DFT-D and hydrodynamic voltammetry

Francesco Caruso, Molly Berinato, [ ... ], Miriam Rossi

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